1,4-dimethylimidazole;1,4-dimethylpyrazole;ethane;2-methyl-1,3,4-oxadiazole;2-methyl-1,3-oxazole;4-methyl-1,3-oxazole;5-methyl-1,3-oxazole;2-methyl-1,3,4-thiadiazole;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole

C60H114N14O4S4 — CID 160572619

IUPAC1,4-dimethylimidazole;1,4-dimethylpyrazole;ethane;2-methyl-1,3,4-oxadiazole;2-methyl-1,3-oxazole;4-methyl-1,3-oxazole;5-methyl-1,3-oxazole;2-methyl-1,3,4-thiadiazole;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.Cc1cn(C)cn1.Cc1cnco1.Cc1cncs1.Cc1cnn(C)c1.Cc1cocn1.Cc1cscn1.Cc1ncco1.Cc1nccs1.Cc1nnco1.Cc1nncs1
InChIInChI=1S/2C5H8N2.3C4H5NO.3C4H5NS.C3H4N2O.C3H4N2S.10C2H6/c1-5-3-7(2)4-6-5;1-5-3-6-7(2)4-5;1-4-2-6-3-5-4;1-4-2-5-3-6-4;1-4-5-2-3-6-4;1-4-2-6-3-5-4;1-4-2-5-3-6-4;1-4-5-2-3-6-4;2*1-3-5-4-2-6-3;10*1-2/h2*3-4H,1-2H3;6*2-3H,1H3;2*2H,1H3;10*1-2H3
InChIKeyRASZBMPVXCMCBO-UHFFFAOYSA-N
MW1223.93 g/mol
LogP20.25
Rot. Bonds

About 1,4-dimethylimidazole;1,4-dimethylpyrazole;ethane;2-methyl-1,3,4-oxadiazole;2-methyl-1,3-oxazole;4-methyl-1,3-oxazole;5-methyl-1,3-oxazole;2-methyl-1,3,4-thiadiazole;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole

1,4-dimethylimidazole;1,4-dimethylpyrazole;ethane;2-methyl-1,3,4-oxadiazole;2-methyl-1,3-oxazole;4-methyl-1,3-oxazole;5-methyl-1,3-oxazole;2-methyl-1,3,4-thiadiazole;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole (PubChem CID 160572619) has the molecular formula C60H114N14O4S4 and a molecular weight of 1223.93 g/mol. Its IUPAC name is 1,4-dimethylimidazole;1,4-dimethylpyrazole;ethane;2-methyl-1,3,4-oxadiazole;2-methyl-1,3-oxazole;4-methyl-1,3-oxazole;5-methyl-1,3-oxazole;2-methyl-1,3,4-thiadiazole;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole.

Molecular Properties

Compound Name1,4-dimethylimidazole;1,4-dimethylpyrazole;ethane;2-methyl-1,3,4-oxadiazole;2-methyl-1,3-oxazole;4-methyl-1,3-oxazole;5-methyl-1,3-oxazole;2-methyl-1,3,4-thiadiazole;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole
PubChem CID160572619
Molecular FormulaC60H114N14O4S4
Molecular Weight1223.93 g/mol
Exact Mass1222.80
IUPAC Name1,4-dimethylimidazole;1,4-dimethylpyrazole;ethane;2-methyl-1,3,4-oxadiazole;2-methyl-1,3-oxazole;4-methyl-1,3-oxazole;5-methyl-1,3-oxazole;2-methyl-1,3,4-thiadiazole;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.Cc1cn(C)cn1.Cc1cnco1.Cc1cncs1.Cc1cnn(C)c1.Cc1cocn1.Cc1cscn1.Cc1ncco1.Cc1nccs1.Cc1nnco1.Cc1nncs1
InChIInChI=1S/2C5H8N2.3C4H5NO.3C4H5NS.C3H4N2O.C3H4N2S.10C2H6/c1-5-3-7(2)4-6-5;1-5-3-6-7(2)4-5;1-4-2-6-3-5-4;1-4-2-5-3-6-4;1-4-5-2-3-6-4;1-4-2-6-3-5-4;1-4-2-5-3-6-4;1-4-5-2-3-6-4;2*1-3-5-4-2-6-3;10*1-2/h2*3-4H,1-2H3;6*2-3H,1H3;2*2H,1H3;10*1-2H3
InChIKeyRASZBMPVXCMCBO-UHFFFAOYSA-N
XLogP20.25
TPSA217.10 Ų
H-Bond Donors
H-Bond Acceptors22
Rotatable Bonds
Heavy Atoms82
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001223.93
LogP ≤ 520.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1022

Analyze 1,4-dimethylimidazole;1,4-dimethylpyrazole;ethane;2-methyl-1,3,4-oxadiazole;2-methyl-1,3-oxazole;4-methyl-1,3-oxazole;5-methyl-1,3-oxazole;2-methyl-1,3,4-thiadiazole;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole with MolForge

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Related Compounds

1,2-Dimethylimidazole;1,4-dimethylimidazole;ethane;1-methylimidazole;bis(4-methyl-1,3-oxazole);bis(5-methyl-1,3-oxazole);2-methyl-1,3-thiazole;tris(4-methyl-1,3-thiazole);5-methyl-1,3-thiazole
CID 157897141
4-tert-butyl-1-methylpyrazole;4-tert-butyl-1-methyltriazole;4-tert-butyl-2H-pyrrole;1,2-dimethyl-5-propan-2-ylimidazole;3,4-dimethyl-5-propan-2-yl-1,2,4-triazole;1-methyl-5-propan-2-ylimidazole;2-methyl-5-propan-2-yl-1,3-oxazole;2-methyl-5-propan-2-yl-1,3-thiazole;4-methyl-3-propan-2-yl-1,2,4-triazole;5-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-thiazole
CID 158383278
1,4-dimethylimidazole;2,5-dimethyl-1,3,4-oxadiazole;3,5-dimethyl-1,2,4-oxadiazole;2,4-dimethyl-1,3-oxazole;2,5-dimethyl-1,3-oxazole;1,4-dimethylpyrazole;2,5-dimethyl-1,3,4-thiadiazole;3,5-dimethyl-1,2,4-thiadiazole;2,4-dimethyl-1,3-thiazole;2,5-dimethyl-1,3-thiazole;1,4-dimethyltriazole;methane;1,3,5-trimethylpyrazole;1,3,5-trimethyl-1,2,4-triazole;3,4,5-trimethyl-3H-1,2,4-triazol-4-ium
CID 158575231
2,4-Dimethyl-1,3-oxazole;2,5-dimethyl-1,3-oxazole;bis(2,4-dimethyl-1,3-thiazole);bis(2,5-dimethyl-1,3-thiazole);1-methylimidazole;5-methyl-1,3-oxazole;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole;2,4,5-trimethyl-1,3-thiazole
CID 159104812
1,4-Dimethylimidazole;2,5-dimethyl-1,3,4-oxadiazole;3,5-dimethyl-1,2,4-oxadiazole;2,4-dimethyl-1,3-oxazole;2,5-dimethyl-1,3-oxazole;1,4-dimethylpyrazole;2,5-dimethyl-1,3,4-thiadiazole;3,5-dimethyl-1,2,4-thiadiazole;2,4-dimethyl-1,3-thiazole;2,5-dimethyl-1,3-thiazole;1,4-dimethyltriazole;1,3,5-trimethylpyrazole;1,3,5-trimethyl-1,2,4-triazole;3,4,5-trimethyl-1,2,4-triazole
CID 159173932
2,4-Dimethyl-1,3-oxazole;bis(2,5-dimethyl-1,3-oxazole);bis(2,4-dimethyl-1,3-thiazole);bis(2,5-dimethyl-1,3-thiazole);1-methylimidazole;4-methyl-1,3-oxazole;5-methyl-1,3-oxazole;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole;2,4,5-trimethyl-1,3-thiazole
CID 159980714
1,4-Dimethylimidazole;2,5-dimethyl-1,3,4-oxadiazole;3,5-dimethyl-1,2,4-oxadiazole;2,4-dimethyl-1,3-oxazole;2,5-dimethyl-1,3-oxazole;1,4-dimethylpyrazole;2,5-dimethyl-1,3,4-thiadiazole;3,5-dimethyl-1,2,4-thiadiazole;2,4-dimethyl-1,3-thiazole;2,5-dimethyl-1,3-thiazole;1,4-dimethyltriazole;methane;1,3,5-trimethylpyrazole;1,3,5-trimethyl-1,2,4-triazole;3,4,5-trimethyl-1,2,4-triazole
CID 160331133
1-methylimidazole;2-methyl-1,3-oxazole;4-methyl-1,3-oxazole;5-methyl-1,3-oxazole;1-methylpyrazole;4-methyl-1H-pyrazole;bis(5-methyl-1H-pyrazole);2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole
CID 161294783
Ethane;1-methylimidazole;4-methyl-1,3-oxazole;5-methyl-1,3-oxazole;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole
CID 161630324
1-Methylimidazole;2-methyl-1,3-oxazole;1-methylpentazole;1-methylpyrazole;1-methyltetrazole;2-methyl-1,3-thiazole;3-methyl-1,2-thiazole;4-methyl-1,2-thiazole;4-methyl-1,3-thiazole;5-methyl-1,2-thiazole;5-methyl-1,3-thiazole;1-methyltriazole;1-methyl-1,2,4-triazole
CID 162117707
1,4-Dimethylimidazole;ethane;2-methyl-1,3,4-oxadiazole;2-methyl-1,3-oxazole;4-methyl-1,3-oxazole;5-methyl-1,3-oxazole;2-methyl-1,3,4-thiadiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole
CID 162172033
ethane;5-methyl-1H-imidazole;2-methyl-1,3-oxazole;4-methyl-1,3-oxazole;5-methyl-1,3-oxazole;bis(5-methyl-1H-pyrazole);4-methyl-2H-pyrrole;5-methyl-3H-pyrrole;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole
CID 165111402

Frequently Asked Questions

What is the IUPAC name of 1,4-dimethylimidazole;1,4-dimethylpyrazole;ethane;2-methyl-1,3,4-oxadiazole;2-methyl-1,3-oxazole;4-methyl-1,3-oxazole;5-methyl-1,3-oxazole;2-methyl-1,3,4-thiadiazole;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole?
The IUPAC name of 1,4-dimethylimidazole;1,4-dimethylpyrazole;ethane;2-methyl-1,3,4-oxadiazole;2-methyl-1,3-oxazole;4-methyl-1,3-oxazole;5-methyl-1,3-oxazole;2-methyl-1,3,4-thiadiazole;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole (CID 160572619) is 1,4-dimethylimidazole;1,4-dimethylpyrazole;ethane;2-methyl-1,3,4-oxadiazole;2-methyl-1,3-oxazole;4-methyl-1,3-oxazole;5-methyl-1,3-oxazole;2-methyl-1,3,4-thiadiazole;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole.
What is the SMILES notation for 1,4-dimethylimidazole;1,4-dimethylpyrazole;ethane;2-methyl-1,3,4-oxadiazole;2-methyl-1,3-oxazole;4-methyl-1,3-oxazole;5-methyl-1,3-oxazole;2-methyl-1,3,4-thiadiazole;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole?
The canonical SMILES for 1,4-dimethylimidazole;1,4-dimethylpyrazole;ethane;2-methyl-1,3,4-oxadiazole;2-methyl-1,3-oxazole;4-methyl-1,3-oxazole;5-methyl-1,3-oxazole;2-methyl-1,3,4-thiadiazole;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole is CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.Cc1cn(C)cn1.Cc1cnco1.Cc1cncs1.Cc1cnn(C)c1.Cc1cocn1.Cc1cscn1.Cc1ncco1.Cc1nccs1.Cc1nnco1.Cc1nncs1.
What is the InChIKey of 1,4-dimethylimidazole;1,4-dimethylpyrazole;ethane;2-methyl-1,3,4-oxadiazole;2-methyl-1,3-oxazole;4-methyl-1,3-oxazole;5-methyl-1,3-oxazole;2-methyl-1,3,4-thiadiazole;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole?
The InChIKey is RASZBMPVXCMCBO-UHFFFAOYSA-N. The full InChI is InChI=1S/2C5H8N2.3C4H5NO.3C4H5NS.C3H4N2O.C3H4N2S.10C2H6/c1-5-3-7(2)4-6-5;1-5-3-6-7(2)4-5;1-4-2-6-3-5-4;1-4-2-5-3-6-4;1-4-5-2-3-6-4;1-4-2-6-3-5-4;1-4-2-5-3-6-4;1-4-5-2-3-6-4;2*1-3-5-4-2-6-3;10*1-2/h2*3-4H,1-2H3;6*2-3H,1H3;2*2H,1H3;10*1-2H3.
What are the key properties of 1,4-dimethylimidazole;1,4-dimethylpyrazole;ethane;2-methyl-1,3,4-oxadiazole;2-methyl-1,3-oxazole;4-methyl-1,3-oxazole;5-methyl-1,3-oxazole;2-methyl-1,3,4-thiadiazole;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole?
1,4-dimethylimidazole;1,4-dimethylpyrazole;ethane;2-methyl-1,3,4-oxadiazole;2-methyl-1,3-oxazole;4-methyl-1,3-oxazole;5-methyl-1,3-oxazole;2-methyl-1,3,4-thiadiazole;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole has a molecular weight of 1223.93 g/mol, XLogP of 20.25, 0 rotatable bonds, 0 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethylimidazole;1,4-dimethylpyrazole;ethane;2-methyl-1,3,4-oxadiazole;2-methyl-1,3-oxazole;4-methyl-1,3-oxazole;5-methyl-1,3-oxazole;2-methyl-1,3,4-thiadiazole;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole is sourced from PubChem (CID 160572619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).